General Information of the Compound
| Compound ID |
CP0687530
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| Compound Name |
(Z)-5-((4-bromo-1H-indol-3-yl)methylene)-2-(methylthio)-1H-imidazol-4(5H)-one
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| Formula |
C13H10BrN3OS
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| Molecular Weight |
336.214
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| Canonical SMILES |
CSC1=NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1
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| InChI |
InChI=1S/C13H10BrN3OS/c1-19-13-16-10(12(18)17-13)5-7-6-15-9-4-2-3-8(14)11(7)9/h2-6,15H,1H3,(H,16,17,18)/b10-5-
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| InChIKey |
FWPUCXQAXCIWEF-YHYXMXQVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C